2-benzylbenzoic acid

C14H12O2 — CID 11924

IUPAC2-benzylbenzoic acid
SMILESO=C(O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKeyFESDHLLVLYZNFY-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.98
Rot. Bonds3

About 2-benzylbenzoic acid

2-benzylbenzoic acid (PubChem CID 11924) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-benzylbenzoic acid.

Molecular Properties

Compound Name2-benzylbenzoic acid
PubChem CID11924
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2-benzylbenzoic acid
SMILESO=C(O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKeyFESDHLLVLYZNFY-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Monomethyl phthalate
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Frequently Asked Questions

What is the IUPAC name of 2-benzylbenzoic acid?
The IUPAC name of 2-benzylbenzoic acid (CID 11924) is 2-benzylbenzoic acid.
What is the SMILES notation for 2-benzylbenzoic acid?
The canonical SMILES for 2-benzylbenzoic acid is O=C(O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzylbenzoic acid?
The InChIKey is FESDHLLVLYZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16).
What are the key properties of 2-benzylbenzoic acid?
2-benzylbenzoic acid has a molecular weight of 212.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbenzoic acid is sourced from PubChem (CID 11924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).